scPDB - 5hgc entry

Protein Data Bank Entry:

PDB ID : 5hgc

Resolution :2.430 Å

Experimental Method : X-ray

Deposition Date : 2016-01-08

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Uncharacterized protein
ID:	H0ZQY2_TAEGU
AC:	H0ZQY2
Organism:	Taeniopygia guttata
Reign:	Eukaryota
TaxID:	59729
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

Ligand binding site composition:

B-Factor:	32.697
Number of residues:	30
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.732	327.375

% Hydrophobic	% Polar
52.58	47.42
According to VolSite

Ligand :

HET Code:	HCY
Formula:	C21H30O5
Molecular weight:	362.460 g/mol
DrugBank ID:	DB00741
Buried Surface Area:	62.69 %
Polar Surface area:	94.83 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	3
Rings:	4
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

Mass center Coordinates

X	Y	Z
27.0726	56.0609	30.2493

Binding mode :

What is Poseview ?

2D View
3D View

Image generated by PoseView

Protein

Binding Site

Ligand

Interaction pattern

hydrophobic (CA)

aromatic (CZ)

hydrogen bond acceptor (O)

hydrogen bond acceptor/donor (OG)

hydrogen bond donor (N)

positively ionized (NZ)

negatively ionized (OD1)

metal (ZN)

Legend:

Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand

Image generated using PoseView by BioSolveIT

Ligand	Protein		Interaction
Atom	Atom	Residue	Distance (Å)	Angle (°)	Type
C6	CG1	VAL- 32	4.34	0	Hydrophobic	false
C6	CB	ALA- 36	3.83	0	Hydrophobic	false
O4	NH1	ARG- 246	2.82	164.03	H-Bond (Protein Donor)	false
O5	NH2	ARG- 246	2.91	173.63	H-Bond (Protein Donor)	false
C16	CG2	THR- 254	4.29	0	Hydrophobic	false
C18	CZ	PHE- 256	3.71	0	Hydrophobic	false
C2	CD	LYS- 274	4.13	0	Hydrophobic	false
C19	CB	LYS- 274	4.39	0	Hydrophobic	false
C8	CG2	ILE- 277	4.42	0	Hydrophobic	false
C18	CG2	ILE- 277	4.15	0	Hydrophobic	false
C19	CG2	ILE- 277	3.71	0	Hydrophobic	false
C19	CB	GLN- 278	4.1	0	Hydrophobic	false
C1	CB	GLN- 278	4.18	0	Hydrophobic	false
C18	CB	SER- 281	3.76	0	Hydrophobic	false
O2	OG	SER- 281	3.01	151.46	H-Bond (Ligand Donor)	false
C7	CD2	PHE- 380	4.18	0	Hydrophobic	false
C15	CB	PHE- 380	3.45	0	Hydrophobic	false
C21	CG	ARG- 382	4.42	0	Hydrophobic	false
C16	CG	ARG- 382	4.11	0	Hydrophobic	false
C7	CB	ASN- 385	4.21	0	Hydrophobic	false
C14	CB	ASN- 385	4.3	0	Hydrophobic	false
O3	OD1	ASN- 385	2.68	151.03	H-Bond (Ligand Donor)	false